==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-FEB-01 1H8Z . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR L.PERNOT,F.FRENOIS,T.RYBKINE,G.L'HERMITE,S.PETRELLA, . 474 4 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 340 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 20.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 3 1 0 0 4 2 4 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 3 2 2 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 21 A S 0 0 154 0, 0.0 2,-0.2 0, 0.0 30,-0.1 0.000 360.0 360.0 360.0 150.8 26.1 37.4 84.5 2 22 A I - 0 0 48 28,-0.1 2,-0.2 30,-0.1 30,-0.2 -0.500 360.0-137.2 -71.3 134.5 23.7 40.3 84.0 3 23 A T E -a 32 0A 84 28,-2.4 30,-2.0 -2,-0.2 2,-0.6 -0.621 9.2-127.9 -93.6 152.0 25.5 43.6 83.8 4 24 A E E -a 33 0A 97 -2,-0.2 2,-1.0 28,-0.2 30,-0.2 -0.898 14.4-160.2-101.5 118.0 24.2 46.7 85.7 5 25 A N > - 0 0 44 28,-3.3 3,-1.5 -2,-0.6 4,-0.4 -0.788 5.5-172.1 -99.6 90.3 23.8 49.8 83.4 6 26 A T G > S+ 0 0 107 -2,-1.0 3,-1.4 1,-0.3 4,-0.3 0.778 77.4 64.7 -49.1 -40.7 23.9 52.7 85.9 7 27 A S G > S+ 0 0 57 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.747 85.5 69.4 -62.7 -31.5 22.9 55.2 83.2 8 28 A W G X> S+ 0 0 11 -3,-1.5 3,-1.4 1,-0.3 4,-0.7 0.749 83.6 75.5 -58.4 -28.8 19.5 53.8 82.5 9 29 A N H X> S+ 0 0 58 -3,-1.4 4,-2.8 -4,-0.4 3,-0.6 0.807 79.4 71.9 -54.0 -27.2 18.5 55.0 85.9 10 30 A K H <> S+ 0 0 156 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.860 92.8 54.3 -60.1 -31.8 18.3 58.5 84.5 11 31 A E H <> S+ 0 0 63 -3,-1.4 4,-0.7 -4,-0.4 -1,-0.3 0.838 111.6 46.0 -70.0 -30.2 15.2 57.6 82.6 12 32 A F H X<>S+ 0 0 6 -4,-0.7 5,-2.4 -3,-0.6 3,-0.7 0.920 111.8 49.1 -74.2 -46.4 13.6 56.5 85.9 13 33 A S H ><5S+ 0 0 92 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.866 101.9 65.2 -62.0 -33.1 14.8 59.5 87.9 14 34 A A H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.886 115.2 29.4 -57.9 -32.6 13.4 61.8 85.1 15 35 A E T <<5S- 0 0 75 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.294 108.3-120.2-111.9 8.8 9.9 60.6 86.0 16 36 A A T < 5 + 0 0 83 -3,-1.2 2,-0.4 -4,-0.4 -3,-0.2 0.901 62.4 149.4 51.0 50.0 10.5 59.8 89.6 17 37 A V < - 0 0 11 -5,-2.4 2,-0.6 -6,-0.1 -1,-0.2 -0.874 44.0-144.6-113.3 145.0 9.6 56.2 89.1 18 38 A N + 0 0 115 -2,-0.4 194,-2.5 194,-0.3 2,-0.3 -0.936 52.0 110.0 -99.4 119.4 10.9 53.2 91.0 19 39 A G E -B 211 0A 8 -2,-0.6 2,-0.3 192,-0.3 192,-0.2 -0.938 54.4-113.7-169.5-173.6 11.3 50.3 88.7 20 40 A V E -B 210 0A 0 190,-2.4 190,-2.1 -2,-0.3 2,-0.4 -0.985 12.9-163.8-139.7 144.8 13.6 47.9 86.8 21 41 A F E -B 209 0A 0 -2,-0.3 13,-1.1 188,-0.2 2,-0.4 -0.992 4.7-170.7-130.7 132.2 14.2 47.3 83.1 22 42 A V E +BC 208 33A 0 186,-2.3 186,-2.1 -2,-0.4 2,-0.4 -0.993 8.4 176.3-120.4 123.2 16.0 44.1 81.8 23 43 A L E -BC 207 32A 13 9,-2.4 9,-2.0 -2,-0.4 2,-0.4 -0.996 5.2-172.7-134.0 128.8 17.0 44.0 78.1 24 44 A a E -BC 206 31A 0 182,-2.4 182,-1.9 -2,-0.4 2,-0.5 -0.945 15.7-142.0-128.6 135.2 19.0 41.1 76.6 25 45 A K E S-B 205 0A 106 5,-1.9 2,-2.0 -2,-0.4 180,-0.2 -0.930 79.4 -19.8-100.4 124.6 20.5 40.8 73.1 26 46 A S S S+ 0 0 59 178,-3.1 2,-0.3 -2,-0.5 179,-0.1 -0.175 130.7 3.3 76.6 -48.1 20.2 37.4 71.5 27 47 A S S > S- 0 0 31 -2,-2.0 3,-1.6 3,-0.2 -2,-0.3 -0.968 81.2 -93.3-157.3 171.3 19.7 35.3 74.6 28 48 A S T 3 S+ 0 0 38 -2,-0.3 3,-0.3 1,-0.3 112,-0.1 0.415 113.6 76.7 -72.3 8.5 19.2 35.6 78.4 29 49 A K T 3 S+ 0 0 178 1,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.415 94.0 47.9 -95.0 -2.7 22.9 35.1 78.7 30 50 A S S < S+ 0 0 75 -3,-1.6 -5,-1.9 -5,-0.1 2,-0.3 -0.587 81.5 146.5-137.5 67.0 23.7 38.7 77.6 31 51 A a E - C 0 24A 9 -3,-0.3 -28,-2.4 -7,-0.2 2,-0.3 -0.748 26.8-167.9-111.6 151.8 21.3 40.8 79.7 32 52 A A E +aC 3 23A 17 -9,-2.0 -9,-2.4 -2,-0.3 2,-0.3 -0.961 8.5 178.7-127.7 160.3 21.7 44.3 81.2 33 53 A T E -aC 4 22A 0 -30,-2.0 -28,-3.3 -2,-0.3 3,-0.2 -0.954 37.2-128.7-156.4 154.7 19.6 46.1 83.8 34 54 A N S S+ 0 0 3 -13,-1.1 2,-0.3 -2,-0.3 -25,-0.1 0.620 103.8 26.1 -75.0 -26.5 19.5 49.4 85.7 35 55 A N > - 0 0 54 -14,-0.4 4,-1.8 1,-0.1 3,-0.5 -0.755 58.5-168.4-145.1 105.4 19.2 47.5 89.0 36 56 A L H > S+ 0 0 69 -2,-0.3 4,-0.8 1,-0.2 -1,-0.1 0.817 90.6 56.7 -58.8 -37.2 20.4 44.0 89.7 37 57 A A H 4 S+ 0 0 81 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.871 112.7 38.4 -65.7 -35.7 18.6 43.8 93.0 38 58 A R H >4 S+ 0 0 25 -3,-0.5 3,-0.8 1,-0.2 97,-0.5 0.777 100.8 74.6 -93.2 -15.2 15.2 44.5 91.6 39 59 A A H 3< S+ 0 0 0 -4,-1.8 97,-2.2 1,-0.3 96,-0.3 0.792 105.2 38.4 -61.3 -26.9 15.8 42.4 88.4 40 60 A S T 3< S+ 0 0 78 -4,-0.8 -1,-0.3 -3,-0.3 2,-0.2 0.501 90.1 110.8-100.6 -10.1 15.4 39.3 90.5 41 61 A K < - 0 0 119 -3,-0.8 94,-0.5 -4,-0.3 2,-0.4 -0.472 66.0-129.9 -70.5 129.2 12.5 40.5 92.7 42 62 A E + 0 0 72 -2,-0.2 2,-0.3 92,-0.2 92,-0.3 -0.708 29.4 177.3 -88.8 135.1 9.2 38.8 92.1 43 63 A Y B -G 133 0B 44 90,-2.5 90,-2.7 -2,-0.4 148,-0.0 -0.891 42.3 -79.9-125.1 161.6 6.0 40.8 91.5 44 64 A L - 0 0 20 -2,-0.3 88,-0.2 88,-0.2 137,-0.1 -0.276 36.9-144.2 -59.7 139.4 2.4 40.0 90.7 45 65 A P > + 0 0 0 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.780 27.2 178.2 -79.8 -28.2 2.2 39.4 86.9 46 66 A A G > S- 0 0 3 80,-1.6 3,-2.1 1,-0.3 4,-0.1 -0.299 71.9 -9.5 54.7-137.7 -1.3 40.9 86.5 47 67 A S G > S+ 0 0 25 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.468 120.7 80.4 -73.0 -2.0 -2.2 40.7 82.8 48 68 A T G X S+ 0 0 0 -3,-2.1 3,-1.6 1,-0.3 -1,-0.3 0.742 81.2 72.3 -70.1 -15.6 1.3 39.6 81.7 49 69 A F G <> S+ 0 0 0 -3,-2.1 4,-2.3 1,-0.3 -1,-0.3 0.597 73.6 82.4 -70.0 -12.0 -0.1 36.3 82.9 50 70 A K H <> S+ 0 0 4 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.800 83.6 63.3 -60.3 -25.4 -2.3 36.4 79.7 51 71 A I H <> S+ 0 0 2 -3,-1.6 4,-2.1 2,-0.2 5,-0.2 0.987 110.5 31.6 -63.4 -69.1 0.8 35.0 77.9 52 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.917 118.4 58.2 -52.1 -43.3 1.1 31.6 79.7 53 73 A S H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.937 106.3 47.6 -55.9 -45.1 -2.7 31.5 80.1 54 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.924 113.3 47.6 -62.7 -44.5 -3.2 31.7 76.4 55 75 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.946 115.1 45.2 -63.7 -42.1 -0.7 29.0 75.7 56 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 6,-0.3 0.902 110.7 54.3 -66.2 -39.7 -2.1 26.7 78.4 57 77 A G H <>S+ 0 0 0 -4,-3.0 6,-2.6 -5,-0.3 5,-1.0 0.917 113.8 41.7 -62.7 -41.7 -5.7 27.4 77.1 58 78 A L H ><5S+ 0 0 10 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.899 113.4 53.5 -68.3 -48.5 -4.7 26.4 73.6 59 79 A E H 3<5S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.879 112.7 43.3 -55.0 -37.7 -2.7 23.4 74.9 60 80 A T T 3<5S- 0 0 28 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.474 113.4-117.4 -86.5 -1.3 -5.6 22.1 76.9 61 81 A G T < 5S+ 0 0 51 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.493 83.5 121.4 71.0 11.2 -8.1 22.8 74.0 62 82 A V S S- 0 0 33 -3,-0.1 3,-2.0 94,-0.0 -1,-0.2 -0.944 72.5 -63.5-170.9-173.5 -7.5 27.4 67.8 66 86 A E T 3 S+ 0 0 34 1,-0.3 14,-0.5 -2,-0.3 -2,-0.0 0.662 127.4 58.3 -66.1 -21.5 -6.2 30.8 66.7 67 87 A H T 3 S+ 0 0 66 12,-0.1 -1,-0.3 13,-0.1 319,-0.0 0.435 75.4 130.9 -91.2 4.9 -9.6 31.6 65.2 68 88 A Q < - 0 0 56 -3,-2.0 12,-0.4 1,-0.1 2,-0.4 -0.225 45.6-149.9 -57.0 135.8 -11.5 31.2 68.6 69 89 A V - 0 0 56 10,-0.1 2,-0.4 11,-0.1 10,-0.2 -0.856 4.6-149.6-116.8 136.9 -13.8 34.1 69.4 70 90 A F B -H 78 0C 22 8,-2.8 8,-2.2 -2,-0.4 2,-0.2 -0.867 15.8-123.0-106.4 139.7 -14.6 35.2 73.0 71 91 A K 0 0 74 -2,-0.4 6,-0.1 6,-0.2 5,-0.1 -0.624 360.0 360.0 -77.6 147.4 -17.8 36.8 74.2 72 92 A W 0 0 81 3,-0.5 -1,-0.1 -2,-0.2 5,-0.1 -0.125 360.0 360.0 -42.5 360.0 -17.3 40.2 75.9 73 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 74 102 A W 0 0 304 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 104.4 -23.9 44.9 73.9 75 103 A E - 0 0 76 1,-0.1 -3,-0.5 -3,-0.0 0, 0.0 -0.508 360.0-111.6 -75.0 139.8 -20.2 44.7 73.3 76 104 A R - 0 0 82 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.119 37.6 -93.5 -66.6 161.6 -18.9 42.7 70.3 77 105 A D - 0 0 84 -6,-0.1 2,-0.3 -5,-0.1 364,-0.3 -0.422 41.4-128.9 -66.8 168.6 -16.9 39.5 70.7 78 106 A L B -H 70 0C 39 -8,-2.2 -8,-2.8 362,-0.1 2,-0.1 -0.805 4.7-131.0-122.6 153.2 -13.1 39.6 70.8 79 107 A S > - 0 0 26 -2,-0.3 4,-2.7 -10,-0.2 5,-0.2 -0.390 41.3 -97.7 -83.0 179.3 -10.4 37.7 68.9 80 108 A L H > S+ 0 0 6 -14,-0.5 4,-2.2 -12,-0.4 5,-0.2 0.930 128.9 47.9 -63.2 -44.9 -7.5 36.2 70.8 81 109 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 113.2 48.6 -60.5 -43.3 -5.4 39.2 70.0 82 110 A G H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 111.4 48.5 -63.4 -41.2 -8.2 41.5 71.1 83 111 A A H < S+ 0 0 0 -4,-2.7 5,-0.3 1,-0.2 -1,-0.2 0.841 110.8 52.2 -70.5 -30.1 -8.7 39.6 74.4 84 112 A I H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.918 113.6 43.9 -68.7 -42.8 -5.0 39.8 75.1 85 113 A Q H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.859 109.6 49.3 -77.2 -39.8 -4.9 43.5 74.5 86 114 A V S < S- 0 0 64 -4,-2.2 2,-0.9 -5,-0.1 0, 0.0 -0.361 98.5 -87.7 -90.5-179.6 -7.9 44.9 76.4 87 115 A S + 0 0 112 1,-0.1 -3,-0.1 -2,-0.1 -2,-0.1 -0.815 60.8 148.3 -89.8 114.0 -9.1 44.3 79.9 88 116 A A >> + 0 0 8 -2,-0.9 3,-2.9 -5,-0.3 4,-1.1 -0.399 11.1 160.5-133.4 41.0 -11.3 41.3 79.3 89 117 A V H 3> S+ 0 0 44 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.851 70.3 57.5 -43.6 -46.1 -10.5 40.0 82.8 90 118 A P H 3> S+ 0 0 79 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.792 100.6 60.0 -54.2 -33.5 -13.6 37.7 82.7 91 119 A V H <> S+ 0 0 12 -3,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.954 110.9 36.9 -58.5 -59.0 -12.2 36.0 79.5 92 120 A F H X S+ 0 0 2 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.794 112.9 59.6 -65.3 -27.2 -9.1 34.8 81.1 93 121 A Q H X S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.940 106.7 47.4 -64.9 -43.2 -10.9 34.1 84.3 94 122 A Q H X S+ 0 0 79 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.901 110.8 52.2 -62.1 -39.1 -13.1 31.7 82.3 95 123 A I H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.934 109.4 47.8 -61.5 -47.5 -10.1 30.1 80.7 96 124 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.881 109.9 53.9 -61.0 -38.0 -8.4 29.5 84.0 97 125 A R H < S+ 0 0 103 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.905 111.4 44.8 -63.9 -43.6 -11.6 28.0 85.5 98 126 A E H < S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.851 112.8 50.6 -71.5 -33.3 -11.9 25.5 82.6 99 127 A V H X S- 0 0 5 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.921 103.1-158.5 -65.9 -42.7 -8.2 24.6 82.8 100 128 A G H X - 0 0 23 -4,-3.0 4,-1.9 -5,-0.2 5,-0.2 0.200 27.4 -74.4 84.0 163.1 -8.7 24.0 86.5 101 129 A E H > S+ 0 0 76 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.845 121.8 53.1 -64.7 -48.4 -6.1 24.1 89.3 102 130 A V H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.967 114.5 39.5 -59.3 -51.8 -4.3 20.8 88.8 103 131 A R H X S+ 0 0 92 -4,-0.5 4,-2.6 2,-0.2 5,-0.2 0.853 114.2 56.0 -65.9 -36.2 -3.4 21.3 85.1 104 132 A M H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.965 108.2 47.3 -60.0 -49.0 -2.6 25.0 85.8 105 133 A Q H X S+ 0 0 73 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.928 111.7 51.8 -56.6 -44.4 -0.1 24.0 88.5 106 134 A K H X S+ 0 0 97 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.917 110.5 46.5 -59.3 -49.2 1.4 21.4 86.1 107 135 A Y H X S+ 0 0 18 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.906 108.8 54.4 -65.9 -33.3 1.9 23.9 83.3 108 136 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 -5,-0.2 4,-0.5 0.865 110.0 48.1 -69.4 -29.0 3.4 26.6 85.6 109 137 A K H ><5S+ 0 0 150 -4,-1.7 3,-1.5 -5,-0.2 -2,-0.2 0.955 111.7 48.5 -69.5 -45.9 6.0 24.0 86.8 110 138 A K H 3<5S+ 0 0 99 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.916 116.5 45.0 -59.2 -35.5 6.8 23.0 83.2 111 139 A F T 3<5S- 0 0 9 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.537 102.8-133.1 -82.1 -7.3 7.1 26.7 82.4 112 140 A S T < 5 - 0 0 75 -3,-1.5 2,-1.1 -4,-0.5 -3,-0.2 0.901 38.0-176.6 45.3 56.1 9.2 27.5 85.5 113 141 A Y > < - 0 0 0 -5,-2.4 3,-1.5 -6,-0.1 -1,-0.2 -0.678 40.4 -77.8 -93.2 94.9 6.8 30.4 86.0 114 142 A G T 3 S- 0 0 12 -2,-1.1 19,-0.2 1,-0.3 17,-0.1 -0.236 102.0 -20.7 58.1-140.2 7.9 32.5 89.0 115 143 A N T 3 S- 0 0 60 17,-2.4 -1,-0.3 2,-0.1 3,-0.1 0.514 79.4-137.4 -80.9 -6.4 7.0 31.1 92.4 116 144 A Q < + 0 0 55 -3,-1.5 2,-0.9 16,-0.3 -2,-0.1 0.798 50.0 150.9 57.7 25.2 4.3 28.9 90.8 117 145 A N + 0 0 59 13,-0.2 -1,-0.2 15,-0.2 13,-0.1 -0.837 12.4 161.3 -92.8 104.7 2.0 29.8 93.7 118 146 A I + 0 0 1 -2,-0.9 7,-0.2 -3,-0.1 6,-0.2 0.205 25.1 142.4-106.9 17.1 -1.6 29.7 92.4 119 147 A S + 0 0 55 6,-0.1 11,-0.7 11,-0.1 2,-0.3 -0.107 47.2 35.3 -61.8 156.2 -3.2 29.4 95.8 120 148 A G S S+ 0 0 68 9,-0.1 2,-0.2 10,-0.1 5,-0.1 -0.782 116.0 6.6 96.6-147.6 -6.5 31.2 96.5 121 149 A G >> - 0 0 22 -2,-0.3 3,-1.8 1,-0.2 4,-1.4 -0.393 59.9-139.8 -73.5 135.1 -9.0 31.4 93.7 122 150 A I T 34 S+ 0 0 38 1,-0.3 -1,-0.2 -2,-0.2 4,-0.1 0.751 106.8 47.2 -59.7 -24.4 -8.3 29.6 90.4 123 151 A D T 34 S+ 0 0 36 1,-0.1 -1,-0.3 -27,-0.1 -26,-0.1 0.290 119.3 33.8-103.2 10.8 -9.6 32.7 88.7 124 152 A K T X>>S+ 0 0 93 -3,-1.8 4,-2.9 -6,-0.2 3,-1.7 0.443 77.1 108.2-140.8 2.2 -7.8 35.4 90.5 125 153 A F T 3<5S+ 0 0 0 -4,-1.4 6,-1.3 1,-0.3 4,-0.2 0.752 88.9 40.2 -59.0 -33.6 -4.4 34.1 91.5 126 154 A W T 345S+ 0 0 4 2,-0.1 -80,-1.6 -4,-0.1 -1,-0.3 0.540 119.2 47.6 -91.7 -8.5 -2.5 36.3 89.0 127 155 A L T <45S- 0 0 34 -3,-1.7 -2,-0.2 -82,-0.1 -1,-0.1 0.764 140.7 -11.7 -96.5 -45.0 -4.7 39.3 89.6 128 156 A E T <5S+ 0 0 141 -4,-2.9 -3,-0.2 -82,-0.1 -2,-0.1 0.285 112.1 93.1-142.1 3.0 -4.8 39.5 93.4 129 157 A G S - 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0 0 42 28,-3.3 3,-1.3 -2,-0.4 4,-0.3 -0.795 5.0-176.4-118.3 95.0 -18.6 47.8 42.6 245 26 B T G > S+ 0 0 108 -2,-0.5 3,-1.8 1,-0.3 4,-0.4 0.792 75.7 71.2 -62.4 -30.2 -18.4 50.8 40.3 246 27 B S G > S+ 0 0 62 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.863 90.2 61.0 -55.7 -36.1 -17.7 53.3 43.1 247 28 B W G X> S+ 0 0 14 -3,-1.3 3,-0.8 1,-0.3 4,-0.7 0.717 86.1 75.4 -67.4 -19.3 -14.2 51.9 43.5 248 29 B N H X> S+ 0 0 53 -3,-1.8 4,-3.2 -4,-0.3 3,-0.5 0.787 80.4 73.1 -63.7 -20.1 -13.3 52.8 40.0 249 30 B K H <> S+ 0 0 159 -3,-1.6 4,-2.4 -4,-0.4 -1,-0.2 0.897 92.5 53.1 -63.0 -37.7 -13.1 56.4 41.1 250 31 B E H <> S+ 0 0 54 -3,-0.8 4,-0.6 -4,-0.4 -1,-0.3 0.805 112.4 45.4 -64.4 -30.9 -9.8 55.7 42.9 251 32 B F H XX>S+ 0 0 4 -4,-0.7 5,-2.0 -3,-0.5 3,-1.1 0.938 112.0 50.8 -75.2 -43.8 -8.4 54.2 39.7 252 33 B S H ><5S+ 0 0 92 -4,-3.2 3,-0.7 1,-0.3 -2,-0.2 0.866 101.5 63.6 -63.9 -34.6 -9.7 57.1 37.5 253 34 B A H 3<5S+ 0 0 73 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.855 115.3 29.6 -53.3 -35.9 -8.1 59.6 39.9 254 35 B E H <<5S- 0 0 84 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.361 108.5-119.7-109.1 2.6 -4.7 58.3 39.1 255 36 B A T <<5 + 0 0 90 -4,-0.7 2,-0.4 -3,-0.7 -3,-0.2 0.917 61.1 152.9 59.4 47.1 -5.5 57.3 35.5 256 37 B V < - 0 0 14 -5,-2.0 2,-0.5 -6,-0.1 -1,-0.2 -0.905 40.3-146.2-113.2 143.9 -4.6 53.7 36.3 257 38 B N + 0 0 111 -2,-0.4 194,-2.6 194,-0.3 2,-0.3 -0.893 54.1 93.5-102.7 119.4 -5.9 50.5 34.6 258 39 B G E -K 450 0E 3 -2,-0.5 2,-0.3 192,-0.3 192,-0.3 -0.974 60.4 -98.2 177.7-166.0 -6.2 47.6 37.1 259 40 B V E -K 449 0E 0 190,-2.5 190,-2.2 -2,-0.3 2,-0.4 -0.977 11.2-160.9-143.6 142.6 -8.4 45.7 39.5 260 41 B F E -K 448 0E 0 -2,-0.3 13,-1.1 188,-0.2 2,-0.4 -0.998 9.0-169.5-123.3 126.6 -9.1 45.5 43.2 261 42 B V E +KL 447 272E 0 186,-2.2 186,-2.2 -2,-0.4 2,-0.4 -0.996 8.5 179.2-114.2 126.9 -10.7 42.4 44.7 262 43 B L E -KL 446 271E 12 9,-2.5 9,-2.5 -2,-0.4 2,-0.4 -0.999 4.3-171.5-132.7 125.3 -11.9 42.7 48.3 263 44 B b E -KL 445 270E 0 182,-2.8 182,-2.2 -2,-0.4 2,-0.5 -0.969 13.5-146.4-124.1 130.2 -13.6 39.9 50.2 264 45 B K E S-K 444 0E 107 5,-1.9 2,-1.5 -2,-0.4 180,-0.2 -0.865 77.9 -22.6 -98.5 127.5 -15.3 40.0 53.6 265 46 B S S S+ 0 0 60 178,-3.5 2,-0.3 -2,-0.5 -1,-0.1 -0.169 129.8 5.6 70.9 -44.0 -15.1 36.8 55.7 266 47 B S S > S- 0 0 26 -2,-1.5 3,-1.6 3,-0.2 -2,-0.2 -0.973 80.3 -94.8-160.1 168.7 -14.5 34.4 52.8 267 48 B S T 3 S+ 0 0 36 -2,-0.3 3,-0.4 1,-0.3 112,-0.1 0.508 113.2 73.8 -73.9 0.5 -14.0 34.1 49.1 268 49 B K T 3 S+ 0 0 174 1,-0.2 -1,-0.3 -4,-0.1 2,-0.3 0.586 94.9 51.7 -86.3 -9.3 -17.7 33.6 48.7 269 50 B S S < S+ 0 0 73 -3,-1.6 -5,-1.9 -5,-0.1 2,-0.3 -0.555 79.3 145.8-125.4 66.4 -18.4 37.3 49.4 270 51 B b E - L 0 263E 13 -3,-0.4 -28,-2.4 -2,-0.3 2,-0.3 -0.816 25.6-169.7-106.1 157.7 -16.1 39.3 47.1 271 52 B A E +jL 242 262E 18 -9,-2.5 -9,-2.5 -2,-0.3 2,-0.3 -0.922 6.9 179.3-136.6 155.1 -16.4 42.6 45.2 272 53 B T E -jL 243 261E 0 -30,-1.9 -28,-3.3 -2,-0.3 3,-0.2 -0.984 35.5-135.0-154.2 156.1 -14.3 44.2 42.5 273 54 B N S S+ 0 0 3 -13,-1.1 2,-0.4 -2,-0.3 -12,-0.1 0.666 102.4 39.7 -81.0 -23.6 -14.1 47.4 40.4 274 55 B N > - 0 0 52 -14,-0.4 4,-1.8 1,-0.2 -1,-0.2 -0.740 60.5-175.8-135.9 90.7 -13.4 45.3 37.3 275 56 B L H > S+ 0 0 75 -2,-0.4 4,-0.6 -3,-0.2 -1,-0.2 0.855 87.0 47.5 -48.7 -55.1 -15.1 42.0 36.7 276 57 B A H >> S+ 0 0 82 1,-0.2 3,-0.9 2,-0.2 4,-0.5 0.920 114.1 46.1 -56.6 -45.1 -13.2 41.1 33.6 277 58 B R H >4 S+ 0 0 21 1,-0.3 3,-0.5 2,-0.2 97,-0.4 0.755 97.8 70.7 -75.4 -23.6 -9.8 41.9 35.0 278 59 B A H 3< S+ 0 0 0 -4,-1.8 97,-2.1 1,-0.2 98,-0.3 0.728 106.0 39.6 -61.6 -30.4 -10.3 40.1 38.3 279 60 B S H << S+ 0 0 82 -3,-0.9 -1,-0.2 -4,-0.6 2,-0.2 0.452 90.5 109.1 -99.2 -9.3 -10.2 36.7 36.5 280 61 B K << - 0 0 128 -4,-0.5 94,-0.5 -3,-0.5 2,-0.5 -0.510 67.7-129.0 -69.2 136.8 -7.4 37.6 34.1 281 62 B E E +P 373 0F 87 -2,-0.2 2,-0.3 92,-0.2 92,-0.3 -0.729 30.3 175.3 -95.6 137.7 -4.1 35.8 34.9 282 63 B Y E -P 372 0F 39 90,-2.3 90,-2.8 -2,-0.5 0, 0.0 -0.874 44.2 -80.5-131.7 158.3 -0.8 37.7 35.2 283 64 B L - 0 0 22 -2,-0.3 88,-0.2 88,-0.3 137,-0.1 -0.339 38.1-144.4 -54.5 131.6 2.8 36.8 36.2 284 65 B P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.752 28.3 178.5 -74.2 -23.1 2.8 36.7 40.0 285 66 B A G > S- 0 0 1 80,-1.5 3,-2.4 1,-0.3 4,-0.1 -0.218 70.3 -7.1 50.9-135.7 6.4 38.2 40.3 286 67 B S G > S+ 0 0 28 1,-0.3 3,-0.9 133,-0.2 -1,-0.3 0.378 120.9 79.4 -73.5 5.6 7.3 38.6 44.0 287 68 B T G X S+ 0 0 0 -3,-1.9 3,-1.4 1,-0.2 -1,-0.3 0.672 80.8 72.3 -80.1 -17.6 3.8 37.7 45.3 288 69 B F G <> S+ 0 0 0 -3,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.629 72.6 83.6 -68.1 -11.8 5.1 34.1 44.6 289 70 B K H <> S+ 0 0 5 -3,-0.9 4,-2.4 2,-0.2 -1,-0.3 0.799 83.1 64.3 -62.3 -19.3 7.3 34.5 47.6 290 71 B I H <> S+ 0 0 2 -3,-1.4 4,-1.9 2,-0.2 3,-0.2 0.998 109.9 31.2 -68.4 -60.9 4.2 33.4 49.6 291 72 B P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.885 119.3 57.3 -60.6 -43.6 3.8 29.9 48.2 292 73 B S H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.912 106.1 47.5 -57.2 -41.0 7.5 29.6 47.8 293 74 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.928 112.4 51.0 -68.4 -33.6 8.3 30.3 51.5 294 75 B I H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.956 114.3 42.2 -65.7 -47.7 5.6 27.7 52.4 295 76 B I H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 6,-0.3 0.888 109.5 59.1 -68.8 -36.2 7.1 25.1 50.1 296 77 B G H X>S+ 0 0 0 -4,-2.7 6,-2.4 -5,-0.3 5,-0.9 0.892 112.6 39.7 -50.8 -53.9 10.6 26.0 51.3 297 78 B L H ><5S+ 0 0 10 -4,-2.3 3,-0.5 4,-0.2 -2,-0.2 0.907 114.0 53.3 -64.4 -47.2 9.6 25.2 54.8 298 79 B E H 3<5S+ 0 0 63 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.918 113.1 42.8 -58.6 -34.9 7.6 22.1 53.9 299 80 B T H 3<5S- 0 0 28 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.649 114.0-116.6 -88.3 -9.7 10.4 20.6 52.0 300 81 B G T <<5S+ 0 0 50 -4,-0.7 -3,-0.2 -3,-0.5 -4,-0.1 0.399 83.4 120.0 86.6 3.1 13.0 21.5 54.7 301 82 B V S S- 0 0 37 -3,-0.1 3,-2.0 94,-0.0 -1,-0.2 -0.928 74.3 -60.3-168.0-170.4 12.4 26.8 60.5 305 86 B E T 3 S+ 0 0 34 1,-0.3 14,-0.4 -2,-0.3 -2,-0.0 0.717 127.1 58.8 -66.2 -15.9 11.2 30.3 61.3 306 87 B H T 3 S+ 0 0 61 12,-0.1 -1,-0.3 13,-0.1 2,-0.1 0.318 74.1 136.8 -93.9 4.2 14.6 31.3 62.5 307 88 B Q < - 0 0 56 -3,-2.0 2,-0.4 1,-0.0 12,-0.3 -0.305 41.9-151.6 -53.2 132.8 16.4 30.6 59.2 308 89 B V - 0 0 56 10,-0.1 2,-0.5 -2,-0.1 10,-0.2 -0.833 5.4-148.8-106.8 140.0 18.8 33.3 58.2 309 90 B F B -Q 317 0G 21 8,-3.0 8,-2.7 -2,-0.4 2,-0.1 -0.958 7.0-137.6-114.7 124.9 19.6 33.9 54.6 310 91 B K 0 0 72 -2,-0.5 6,-0.1 6,-0.2 5,-0.1 -0.410 360.0 360.0 -68.6 152.7 22.9 35.2 53.2 311 92 B W 0 0 74 3,-0.2 -1,-0.1 -2,-0.1 4,-0.1 0.519 360.0 360.0 -57.6 360.0 22.7 37.8 50.5 312 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 313 102 B W 0 0 301 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.2 29.5 43.5 53.1 314 103 B E - 0 0 70 1,-0.1 -3,-0.2 -3,-0.0 2,-0.2 0.333 360.0-150.2 -13.4 99.3 26.3 41.4 52.7 315 104 B R - 0 0 80 -5,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.511 22.4-118.1 -77.5 137.8 24.1 41.5 55.8 316 105 B D - 0 0 82 -2,-0.2 2,-0.3 -6,-0.1 -114,-0.3 -0.374 27.8-136.8 -68.3 159.5 22.1 38.3 56.3 317 106 B L B -Q 309 0G 41 -8,-2.7 -8,-3.0 -116,-0.1 2,-0.1 -0.900 2.4-131.2-124.7 145.3 18.3 38.5 56.2 318 107 B S > - 0 0 28 -2,-0.3 4,-2.8 -10,-0.2 5,-0.2 -0.265 41.6 -98.9 -75.1 172.6 15.5 36.9 58.3 319 108 B L H > S+ 0 0 5 -14,-0.4 4,-2.4 -12,-0.3 5,-0.2 0.945 129.6 47.5 -62.3 -42.0 12.6 35.2 56.5 320 109 B R H > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 112.8 50.6 -61.3 -40.5 10.5 38.4 56.9 321 110 B G H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.939 110.2 48.2 -60.5 -47.1 13.5 40.4 55.6 322 111 B A H <>S+ 0 0 0 -4,-2.8 5,-0.6 1,-0.2 -2,-0.2 0.872 111.3 51.9 -64.7 -36.6 13.9 38.1 52.6 323 112 B I H <5S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.937 114.0 42.0 -62.7 -49.8 10.2 38.4 51.9 324 113 B Q H <5S+ 0 0 60 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.1 0.930 107.2 59.7 -69.0 -46.4 10.1 42.2 52.0 325 114 B V T <5S- 0 0 64 -4,-2.5 2,-1.7 -5,-0.2 0, 0.0 -0.169 99.1 -95.8 -75.5-177.0 13.3 43.2 50.1 326 115 B S T 5 + 0 0 106 1,-0.1 2,-1.0 4,-0.0 -1,-0.1 -0.649 54.3 165.1 -98.1 83.3 14.1 42.4 46.5 327 116 B A >>< + 0 0 6 -2,-1.7 4,-1.7 -5,-0.6 3,-1.6 -0.438 4.0 165.2 -92.9 54.8 16.1 39.4 47.6 328 117 B V H 3> S+ 0 0 76 -2,-1.0 4,-2.2 1,-0.3 -1,-0.2 0.911 75.8 46.2 -42.8 -49.2 16.0 38.2 44.0 329 118 B P H 3> S+ 0 0 57 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.743 105.7 60.4 -63.3 -34.6 18.8 35.7 44.9 330 119 B V H <> S+ 0 0 8 -3,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.971 112.9 34.3 -62.1 -57.2 17.2 34.5 48.1 331 120 B F H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.792 114.8 58.5 -72.3 -21.0 14.0 33.2 46.5 332 121 B Q H X S+ 0 0 33 -4,-2.2 4,-2.0 -5,-0.5 -1,-0.2 0.954 109.1 46.3 -65.7 -40.4 15.8 32.1 43.4 333 122 B Q H X S+ 0 0 80 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.906 109.9 51.7 -67.1 -45.1 18.0 29.9 45.6 334 123 B I H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.934 109.7 50.9 -57.7 -41.9 15.1 28.5 47.6 335 124 B A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.879 110.2 48.5 -65.2 -44.1 13.3 27.5 44.3 336 125 B R H < S+ 0 0 92 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.913 111.8 50.3 -58.1 -44.4 16.4 25.8 42.9 337 126 B E H < S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.909 111.7 47.2 -60.8 -40.6 16.8 23.9 46.3 338 127 B V H < S- 0 0 3 -4,-2.4 4,-0.4 -5,-0.2 -2,-0.2 0.956 104.7-157.3 -66.4 -48.5 13.1 22.9 46.1 339 128 B G X - 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